{"id":34,"date":"2023-06-22T13:39:01","date_gmt":"2023-06-22T13:39:01","guid":{"rendered":"https:\/\/lab.chemsensim.fr\/?page_id=34"},"modified":"2026-07-08T07:54:34","modified_gmt":"2026-07-08T07:54:34","slug":"publications","status":"publish","type":"page","link":"https:\/\/lab.chemsensim.fr\/index.php\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"\n

2026<\/strong><\/p>\n\n\n\n

From Traditional QSAR to AI-Driven Models in Chemical Sciences.
A. Mikolajczyk, B. Rasulev, S. Antoniotti, K. Pola\u0144ski, J.B. Coffin, S. Fiorucci, A. Racz, Anita, P. Skurski, Piotr, U. Zhdan, M. Gromelski, T. Puzyn, J. Leszczynski, M. Cronin, J. Polanski. submitted.<\/em><\/p>\n\n\n\n

Enhancing Mass Spectrum Comparison for Volatile Compounds.
J.B. Coffin, R. Krafft, S. Antoniotti, S. Fiorucci. submitted<\/em>. ChemRxiv<\/a><\/p>\n\n\n\n

Single-point mutation alters odorant receptor sensitivity associated with host plant specialization in Spodoptera moths.
A. Comte, M. Lalis, S. Zhang, A. Thorhallsson, R. Moracci, J. G\u00e9var, N. Montagn\u00e9, J. Topin, A. Mitchell, S. Fiorucci, E. Jacquin-Joly. submitted<\/em>.<\/p>\n\n\n\n

TAARs response to amine are differently affected by sequence variants.
J. Pacalon, C. Belloir, S. Fiorucci, L. Briand, J. Topin. submitted.<\/em><\/p>\n\n\n\n

From gene sequence to male attraction: identifying the major female sex pheromone component of Spodoptera picta<\/em> via pheromone receptor structural analysis.
A. Comte, Z. Wei, H. Li, W.Z. Xing, R. Moracci, J. Zhang, S. Fiorucci, E. Jacquin-Joly. submitted.<\/em><\/p>\n\n\n\n

High-Fidelity Tuning of Olfactory Mixture Distances in the Perceptual Space of Smell Through a Community Effort.
L. Sisson, Y. Han, P. Ilidio, M. Hladi\u0161, M. Lalis, X. Song, W. Yin, A. Ravia, C.X. Zheng, G. Andreoletti, J. Albrecht, R. Pellegrino, Z. Wang, S. Yang, R. D\u2019hondt, A. Ghinis, J. de Boer, F.K. Nakano, A. Gharahighehi, B. Sanchez-Lengeling, A. Keller, L.B. Vosshall, S. Fiorucci, A. Tewari, J. Topin, C. Vens, M. Bjorkman, D. Kragic, N. Sobel, N.A. Christakis, J.D. Mainland, P. Meyer, PNAS<\/strong>, 2026, accepted.<\/em> BioRxiv<\/a> (Code<\/a>)<\/p>\n\n\n\n

Sweet and Umami TAS1R Receptors: From Molecular Recognition to Physiological Function.
C. Cornut, C. Belloir, A. Karolkowski, M. Lalis, S. Chometton, S. Fiorucci, J. Topin, L. Briand. Chem. Senses<\/strong>, 2026, bjag010. DOI<\/a><\/p>\n\n\n\n

Machine Learning Approaches for GC-MS Data Interpretation in Flavor and Fragrance Analysis.
J.B. Coffin, R. Krafft, S. Antoniotti, S. Fiorucci. Flavour Fragr. J.<\/strong>, 2026, 41, 437-448. DOI<\/a><\/p>\n\n\n\n

2025<\/strong><\/p>\n\n\n\n

Targeting Highly Expressed Olfactory Receptors to Improve Olfactory Testing and Training.
H. Benkhatar, J. Topin, I. Parrot, S. Fiorucci. Rhinology<\/strong>, 2025, 63(6), 779-780. DOI<\/a><\/p>\n\n\n\n

Explainability of Molecular Graph Neural Network.
A. Kamal, M. Hladi\u0161, J. Topin, M. Plantevit, S. Fiorucci, C. Robardet. IEEE 12th International Conference on Data Science and Advanced Analytics (DSAA<\/strong>), Birmingham, United Kingdom, 2025, 1-10. DOI<\/a> (proof pdf<\/a><\/em>)<\/p>\n\n\n\n

Editorial: Cutting-edge technologies for multi-sensory research at the frontier between disciplines.
S. Fiorucci, J. Topin, J.C. Sakdavong, B. Mesz. Front. Comput. Sci.<\/strong>, 2025, 7, 1740868. DOI<\/a><\/p>\n\n\n\n

Glutathione as a taste modulator: molecular mechanisms of interaction with umami and sweet taste receptors.
C. Cornut, A. Karolkowski, M. Lalis, A.  Thomas, R.  Menin, J. Topin,  L. Briand & C.  Belloir. Food Chem.: Mol. Sci<\/strong>. 2025, 100319. DOI<\/a><\/p>\n\n\n\n

How Allosteric Mutations Control Ligand Binding in Lipocalin Protein: Odorant Binding Protein as a Test Case.
M. Lalis, L. Moitrier, M. J\u00e4ger, C. Meinert, M. Brul\u00e9, C. Belloir, N. Jones, S. Hoffmann, S. Fiorucci, S. Wolf, L. Briand, J. Topin. <\/em>Cell. Mol. Life Sci.<\/strong> 2025,  82, 250 DOI<\/a>.<\/p>\n\n\n\n

Combining machine learning and electrophysiology for insect odorant receptor studies.
A. Comte, S. Fiorucci, E. Jacquin-Joly. In: Simoes De Souza, F.M., Ma, M. (eds) Olfactory Receptors. Methods in Molecular Biology<\/strong>, 2025, vol 2915. Humana, New York, NY. DOI<\/a><\/p>\n\n\n\n

Accelerating Ligand Discovery for Insect Odorant Receptors.
A. Comte, M. Lalis, L. Brajon, R. Moracci, N. Montagn\u00e9, J. Topin, E. Jacquin-Joly, S. Fiorucci. Int. J. Biol. Sci. <\/strong>2025, 21(5), 2101-2117. DOI<\/a> (Selected as Cover image<\/a>).<\/p>\n\n\n\n

Ligand discrimination in hOR1A1 based on the capacitive response
A. Lagunas, C. Belloir, M. Lalis, L. Briand, J. Topin, P. Gorostiza, J. Samitier. Biosens Bioelectron<\/a>.<\/strong> 2025, 271, 117000. DOI<\/a><\/p>\n\n\n\n

Study and Optimization of the Selectivity of an Odorant Binding Protein-based Bioelectronic Nose
M. El Kazzy, M. Lalis, C. Hurot, J.S. Weerakkody, R. Mathey, C. Saint-Pierre, A. Buhot, T. Livache, J. Topin, L. Moitrier, C. Belloir, L. Briand, Y. Hou. Biosens. Bioelectron<\/strong> 2025, 268, 116879. DOI<\/a><\/p>\n\n\n\n

2024<\/strong><\/p>\n\n\n\n

A status report on human odorant receptors and their allocated agonists.
M. Lalis, M. Hladi\u0161, S. Abi Khalil, C. Deroo, C. Marin, M. Bensafi, N. Baldovini, L. Briand, S. Fiorucci, J. Topin. Chem. Senses<\/strong> 2024, 49, bjae037. DOI<\/a>.<\/p>\n\n\n\n

Citronellol biosynthesis in Pelargonium species: a new PRISE enzyme subfamily that controls the biosynthetic pathway and the ratio of both (S)- and (R)-citronellol isomers.
L. Martinelli, C. Bihanic, A. Bony, F. Gros, C. Conart, S. Fiorucci, H. Casabianca, F. Schiets, G. Cheitera, B. Blerot, S. Baudino, F. Jullien, D. Saint-Marcoux. Plant physiol.<\/strong> 2024, 14, 1006-1023. DOI<\/a> (Selected as Cover image<\/a>).<\/p>\n\n\n\n

M2OR: A Database of Olfactory Receptor-Odorant Pairs for Understanding the Molecular Mechanisms of Olfaction.
M. Lalis, M. Hladi\u0161, S. Abi Khalil, S. Fiorucci, L. Briand, J. Topin. Nucleic. Acids. Res.<\/strong> 2024, 52, D1370\u2013D1379. DOI<\/a><\/p>\n\n\n\n

2023<\/strong><\/p>\n\n\n\n

Elucidating the structural basis for ligand binding and translocation in conserved insect odorant receptor co-receptors.
J. Pacalon, G. Audic, J. Magnat, M. Philip, J. Golebiowski, C.J. Moreau, J. Topin, Nat. Commun.<\/strong> 2023, 14, 8182. DOI<\/a><\/p>\n\n\n\n

Uncovering the chiral bias of meteoritic isovaline through asymmetric photochemistry.
J. Bockov\u00e1, N. C. Jones, J. Topin, S. V. Hoffmann, & C. Meinert. Nat. Commun.<\/strong> 2023, 14(1), 338. DOI<\/a><\/p>\n\n\n\n

Matching receptor to odorant with protein language and graph neural networks
M. Hladi\u0161, M. Lalis, S. Fiorucci, J. Topin. International Conference on Learning Representation (ICLR<\/strong>), 2023, DOI<\/a> <\/em>(OpenReview<\/a>, Presentation<\/a>)<\/p>\n\n\n\n

\u200b2022<\/strong><\/p>\n\n\n\n

Extracellular loop 2 of G protein\u2013coupled olfactory receptors is critical for odorant recognition.
Y. Yu, Z. Ma, J. Pacalon, L. Xu, W. Li, C. Belloir, J. Topin, L. Briand, J. Golebiowski, X. Cong, J. Biol. Chem.<\/strong> 2022, 298(9), 102331. DOI<\/a><\/p>\n\n\n\n

Amino acid gas phase circular dichroism and implications for the origin of biomolecular asymmetry.
C. Meinert, A. D. Garcia, J. Topin, N. C. Jones, M. Diekmann, R. Berger, L. Nahon, S. V. Hoffmann, U. J. Meierhenrich, Nat. Commun.<\/strong> 2022, 13, 502. DOI<\/a><\/p>\n\n\n\n

Chiroptical activity of gas-phase propylene oxide predicting the handedness of interstellar circular polarization in the presolar nebula.
A. D. Garcia, J. Topin, J. Bockov\u00e1, N. C. Jones, S. V. Hoffmann, & C. Meinert, Sci. Adv.<\/strong> 2022, 8(46), eadd4614. DOI<\/a><\/p>\n\n\n\n

The Third Extracellular Loop of Mammalian Odorant Receptors Is Involved in Ligand Binding.
T. Shim, J. Pacalon, W. C. Kim, X. Cong, J. Topin, J. Golebiowski, , & C. Moon, Int. J. Mol. Sci.<\/strong> 2022, 23(20), 12501. DOI<\/a><\/p>\n\n\n\n

Ligand Binding Properties of Odorant-Binding Protein OBP5 from Mus musculus.
L. Moitrier, C. Belloir, M. Lalis, Y. Hou, J. Topin, L. Briand, Biol.<\/strong> 2022, 12, 2. DOI<\/a><\/p>\n\n\n\n

Exploring Dihydroflavonol-4-reductase reactivity and selectivity by QM\/MM-MD simulations.
J. Diharce, E. Bignon, S. Fiorucci, S. Antonczak, ChemBioChem<\/strong> 2022, 23(3), e202100553. DOI<\/a><\/p>\n\n\n\n

\u200b2021<\/strong><\/p>\n\n\n\n

Functional Molecular Switches of Mammalian G Protein-Coupled Bitter-Taste Receptors.
J. Topin, C. Bouysset, J. Pacalon, Y. Kim, M. Rhyu, S. Fiorucci, J. Golebiowski. Cell. Mol. Life Sci.<\/strong> 2021,  78, 7605-7615 DOI<\/a> <\/p>\n\n\n\n

ProLIF: a library to encode molecular interactions as fingerprints.
C. Bouysset, S. Fiorucci, J. Cheminfo.<\/strong> 2021, 13:72 DOI<\/a>. (supp data on GitHub<\/a>)<\/p>\n\n\n\n

Reverse chemical ecology in a moth: machine learning on odorant receptors identifies new behaviorally active agonists.
G. Caballero-Vidal, C. Bouysset, J. G\u00e9var, H. Mbouzid, C. Nara, J. Delaroche, J. Golebiowski, N. Montagn\u00e9, S. Fiorucci, E. Jacquin-Joly. Cell. Mol. Life Sci.<\/strong> 2021, 78, 6593-6603 DOI<\/a><\/p>\n\n\n\n

\u200b2020<\/strong><\/p>\n\n\n\n

Non\u2010Carbohydrate Glycomimetics as Inhibitors of Calcium(II)\u2010binding Lectins.
S. Kuhaudomlarp, E. Siebs, E. Shanina, J. Topin, I. Joachim, P. da Silva Figueiredo Celestino Gomes, A. Varrot, D. Rognan, C. Rademacher, A. Imberty, A. Titz, Angew. Chem. Int. Ed<\/strong>. 2020, 60, 8104-8114. DOI<\/a><\/p>\n\n\n\n

Bitter-Taste Receptors: From Sequence to Structure.
C. Bouysset, J. Topin, S. Antonczak, M. Rhyu, J. Golebiowski, S. Fiorucci. Chem. Senses<\/strong> 2020, 45(8), 800. DOI<\/a><\/p>\n\n\n\n

More than just smell \u2013 COVID-19 is associated with severe impairment of smell, taste, and chemesthesis.
Global Consortium of Chemosensory Research*. Chem. Senses<\/strong> 2020, 45(7), 609-622. DOI<\/a>
* From the Chemosim Lab : C. Bouysset, S. Fiorucci & J. Golebiowski.<\/p>\n\n\n\n

Novel scaffold of natural compound eliciting sweet taste revealed by machine learning.
C. Bouysset, C. Belloir, S. Antonczak, L. Briand, S. Fiorucci. Food Chem.<\/strong> 2020, 324, 126864. DOI<\/a><\/p>\n\n\n\n

Molecular insights into the structure-function relationships of bitter taste receptors.
C. Bouysset, J. Topin, Y. Wang, P. Jiang, J. Golebiowski, S. Antonczak, S. Fiorucci. 2020, Chem. Senses<\/strong> 45, 153. DOI<\/a><\/p>\n\n\n\n

Machine learning decodes chemical features to identify novel agonists of a moth odorant receptor.
G. Caballero-Vidal, C. Bouysset, H. Grunig, S. Fiorucci, N. Montagn\u00e9, J. Golebiowski, E. Jacquin-Joly. Sci. Rep<\/strong>. 2020, 1655. DOI<\/a><\/p>\n\n\n\n

\u200b2019<\/strong><\/p>\n\n\n\n

Mammalian class I odorant receptors exhibit a conserved vestibular binding pocket.
C. Bushdid, C. A. de March, J. Topin, M. Do, H. Matsunami, J. Golebiowski, Cell. Mol. Life Sci<\/strong>. 2019, 76, 995-1004. <\/em>DOI<\/a><\/p>\n\n\n\n

Allosteric modulation mechanism of the mGluR5 transmembrane domain.
X. Cong, J.B. Ch\u00e9ron, J. Golebiowski, S. Antonczak, S. Fiorucci. J. Chem. Info. Model.<\/strong> 2019, 59(6), 2871-2878. DOI<\/a><\/p>\n\n\n\n

Metal ions activate the human TAS2R7 receptor.
Y. Wang, A.L. Soohoo, W. Lei, R.F. Margolskee, C. Bouysset, J. Golebiowski, H. Zhao, S. Fiorucci, P. Jiang. Chem. Senses<\/strong> 2019, 44, 339-347. DOI<\/a><\/p>\n\n\n\n

Zebrafish Olfactory Receptors ORAs Differentially Detect Bile Acids and Bile Salts.
X. Cong, Q. Zheng, W. Ren, J.B. Cheron, S. Fiorucci, T. Wen, C. Zhang, H. Yu, J. Golebiowski, Y. Yu., J. Biol. Chem.<\/strong> 2019, 294, 6762-6771.  DOI<\/a><\/p>\n\n\n\n

Conserved residues control the T1R3-specific allosteric signaling pathway of the mammalian sweet taste receptor.
J.B. Ch\u00e9ron, A. Soohoo, Y. Wang, J. Golebiowski, S. Antonczak, P. Jiang, S. Fiorucci. Chem. Senses<\/strong>  2019, 44, 303-310. DOI<\/a><\/p>\n\n\n\n

Natural Sweeteners.
J.B. Ch\u00e9ron, A. Marchal, S. Fiorucci. In: Melton, L., Shahidi, F., Varelis, P. (Eds.), Encyclopedia of Food Chemistry<\/strong> vol. 1, 2019, pp. 189\u2013195. Elsevier. DOI<\/a><\/p>\n\n\n\n

L\u2019asym\u00e9trie de la vie : une origine extraterrestre ?
A. Garcia, J. Topin, R. Pepino, U. Meierhenrich, L. le Sergeant d\u2019Hendecourt, C. Meinert, L’Act. Chim.<\/strong> 2019, 234. DOI<\/a><\/p>\n\n\n\n

2018<\/strong><\/p>\n\n\n\n

Odorant Receptor 7D4 Activation Dynamics.
C. A. de March, J. Topin, E. Bruguera, G. Novikov, K. Ikegami, H. Matsunami, J. Golebiowski, Angew. Chem. Int. Ed.<\/strong> 2018, 57(17), 4554-4558. DOI<\/a><\/p>\n\n\n\n

Activation dynamics of the neurotensin G-protein coupled receptor 1.
X. Cong, S. Fiorucci, J. Golebiowski. J. Chem. Theory Comput.<\/strong> 2018, 14(8), 4467-4473. DOI<\/a><\/p>\n\n\n\n

Agonists of G Protein-Coupled Odorant Receptors are Predicted from Chemical Features.
C. Bushdid, C.A. de March, S. Fiorucci, H. Matsunami, J. Golebiowski. J. Phys. Chem. Lett.<\/strong> 2018, 9, 2235-2240. DOI<\/a><\/p>\n\n\n\n

2017<\/strong><\/p>\n\n\n\n

Quand l\u2019atmosph\u00e8re sent le soufre. Perception des pollutions odorantes.
C. Bushdid, J. Topin et J. Golebiowsk, Pollution atmosph\u00e9rique<\/strong> 2017, 234, 7<\/p>\n\n\n\n

Class A GPCRs: Structure, function, modeling and structure-based ligand design.
X. Cong, J. Topin, J. Golebiowski. Curr. Pharm. Des.<\/strong> 2017, 23, 4390-4409. DOI<\/a><\/p>\n\n\n\n

Design, Synthesis and Photophysical Studies of Styryl-Based Push-Pull Fluorophores with Remarkable Solvatofluorochromism.
M. Safir Filho, S. Fiorucci, A. Martin, R. Benhida. New J. Chem.<\/strong> 2017, 41, 13760-13772. DOI<\/a><\/p>\n\n\n\n

Update of the ATTRACT force field for the prediction of protein-protein binding affinity.
J.B. Ch\u00e9ron, M. Zacharias, S. Antonczak, S. Fiorucci. J. Comput. Chem.<\/strong> 2017, 38(21), 1887-1890. DOI<\/a> \/ WEBSERVER<\/a><\/p>\n\n\n\n

Ces mol\u00e9cules qui \u00e9veillent nos papilles.
J.B. Ch\u00e9ron, J. Golebiowski, S. Antonczak, L. Briand, S. Fiorucci. L’Act. Chim.<\/strong> 2017, 416, 11-18. Abstract<\/a><\/p>\n\n\n\n

Bornyldiphosphate synthase from Lavandula angustifolia: a major monoterpene synthase involved in essential oil quality.
Y. Despinasse, S. Fiorucci, S. Antonczak, S. Moja, A. Bony, F. Nicol\u00e8, S. Baudino, J.L. Magnard, F. Julien. Phytochem.<\/strong> 2017, 137, 24-33.  DOI<\/a><\/p>\n\n\n\n

The anatomy of mammalian sweet taste receptors.
J.B. Ch\u00e9ron, J. Golebiowski, S. Antonczak, S. Fiorucci. Proteins<\/strong>, 2017, 85, 332-341. DOI<\/a><\/p>\n\n\n\n

Sweetness prediction of natural compounds.
J.B. Ch\u00e9ron, I. Casciuc, J. Golebiowski, S. Antonczak, S. Fiorucci. Food Chem.<\/strong> 2017, 221, 1421-1425. DOI<\/a><\/p>\n\n\n\n

2016<\/strong><\/p>\n\n\n\n

The anatomy of mammalian sweet taste receptors.
J.B. Ch\u00e9ron, J. Golebiowski, S. Antonczak, S. Fiorucci. Chem. Senses <\/strong>2016, 41(9), E179-E179. DOI<\/a><\/p>\n\n\n\n

The Hidden Conformation of Lewis x, a Human Histo-Blood Group Antigen, Is a Determinant for Recognition by Pathogen Lectins.
J. Topin, M. Lelimousin, J. Arnaud, A. Audfray, S. P\u00e9rez S, A. Varrot, A. Imberty. ACS Chemical Biology<\/strong>, 2016, 11, 2011\u20132020, DOI<\/a><\/p>\n\n\n\n

Structure-function of Odorant and Sweet-taste Receptors Based on Molecular Modeling.
J. Golebiowski, J.B. Ch\u00e9ron, C.A. De March, S. Fiorucci, S. Antonczak, Chem. Senses<\/strong> 2016, 41(7), E83-E83. DOI<\/a><\/p>\n\n\n\n

Fine-tuning of microsolvation and hydrogen bond interaction regulates channeling in the course of flavonoid biosynthesis.
J. Diharce, J. Golebiowski, S. Fiorucci, S. Antonczak. Phys. Chem. Chem. Phys. <\/strong>2016, 18, 10337-10345. DOI<\/a><\/p>\n\n\n\n

Ces mol\u00e9cules qui nous m\u00e8nent par le bout du nez. Le codage mol\u00e9culaire de la perception des odeurs.<\/em>
C. Bushdid, C.A. de March, J. Topin, S. Antonczak, M. Bensafi, J. Golebiowski, L’Act. Chim.<\/strong><\/strong> 2016, 406, 21-30. DOI<\/a><\/p>\n\n\n\n

2015<\/strong><\/p>\n\n\n\n

Deciphering the odorant binding protein-olfactory receptor interactions.
M. Viano, S.K. Kim, W.A. Goddard III, C.A. de March, J. Golebiowski, S. Fiorucci. Chem. Senses<\/strong> 2015, 40, 242. DOI<\/a><\/p>\n\n\n\n

2014<\/strong><\/p>\n\n\n\n

Discrimination between Olfactory Receptor agonists and non-agonists.
J. Topin, C. A. de March, L. Charlier, C. Ronin, S. Antonczak, J. Golebiowski, Chem. Eur. J.<\/strong> 2014, 20, 10227-10230 DOI<\/a><\/p>\n\n\n\n

Novel LecA Ligand Identified from Glycan Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa<\/em>.
A. Novoa, T. Eierhoff, J. Topin, A. Varrot, S. Barluenga, A. Imberty, W. R\u00f6mer, N. Winssinger, Angew. Chem. Int. Ed.<\/strong> 2014, 53, 8885-8889. DOI<\/a><\/p>\n\n\n\n

N. Le Breton, M. Martinho, K. Kabytaev, J. Topin, D. Blocquel, S. Longhi, A. Rockenbauer, J. Golebiowski, B. Guigliarelli, S. R. A. Marque & V. Belle, Diversification of EPR signatures in site directed spin labeling using a \u03b2-phosphorylated nitroxide. Phys. Chem. Chem. Phys.<\/strong> 2014, 16, 4202-4209. DOI<\/a><\/p>\n\n\n\n

Advances in GPCR Modeling Evaluated by the GPCR Dock 2013 Assessment: Meeting New Challenges.
I. Kufareva, V. Katritch, Participants of GPCR Dock 2013#,R.C. Stevens, R. Abagyan. Structure<\/strong> 2014, 22, 1120-1139. DOI<\/a>
#among them: UNICE group involving C.A. De March, J. Diharce, S. Antonczak, J. Golebiowski, S. Fiorucci<\/p>\n\n\n\n

\u200bChap. 20: Computational antigenic epitope prediction by calculating electrostatic desolvation penalties of protein surface.
S. Fiorucci, M. Zacharias. in Immunoinformatics<\/strong>, R.K. De, N. Tomar, Springer (2014) p.365-374 Contents<\/a> \/ DOI<\/a><\/p>\n\n\n\n

O2 migration rates in [NiFe]hydrogenases. A joint approach combining free-energy calculations and kinetics modeling.
J. Topin, J. Diharce, S. Fiorucci, S. Antonczak, J. Golebiowski. J. Phys. Chem. B<\/strong> 2014, 118, 676-681. DOI<\/a><\/p>\n\n\n\n

Isolation and functional characterization of a t-cadinol synthase, a new sesquiterpene synthase from Lavandula angustifolia.
F. Julien, S. Moja, A. Bony, S. Legrand, C. Petit, T. Benabdelkader, K. Poirot, S. Fiorucci, Y. Guitton, F. Nicole, S. Baudino, J.L.Magnard. Plant Mol. Biol.<\/strong> 2014, 84, 227-241. DOI<\/a> (selected as Cover image<\/a>)<\/p>\n\n\n\n

2013<\/strong><\/p>\n\n\n\n

Deciphering the glycan preference of bacterial lectins by glycan array and molecular docking with validation by microcalorimetry and crystallography.
J. Topin, J. Arnaud, A. Sarkar, A. Audfray, E. Gillon, D. Smith, S. P\u00e9rez, H. Jamet, A. Varrot, A. Imberty & A. Thomas, PLoS One<\/strong> 2013, 8(8): e71149 DOI<\/a><\/p>\n\n\n\n

In vivo characterization of dynein-driven nanovectors using Drosophila oocytes.
N. Parassol, C. Bienvenu, C. Boglio, S. Fiorucci, D. Cerezo, X.M. Yu, G. Godeau, J. Greiner, P. Vierling, S. Noselli, C. Di Giorgio, V. Van de Bor. PloS One<\/strong> 2013, 8, e82908 DOI<\/a>\u200b<\/p>\n\n\n\n

Chap. 4: Molecular modeling of odorant\/olfactory receptor complexes.
L. Charlier, J. Topin, C. De March, P.C. Lai, C. J. Crasto, J. Golebiowski, <\/em>in Olfactory receptors: methods and protocols, Methods Mol. Biol.<\/strong><\/strong> (2013) vol. 1003 DOI<\/a>.<\/p>\n\n\n\n

Chap. 96: Molecular features underlying the chemoreception of odorant binding proteins and olfactory receptors. Insights from molecular modeling and biophysical data.
J. Golebiowski, L. Charlier, J. Topin, S. Fiorucci, S. Antonczak in Flavour Sciences<\/strong> V. Ferreira, R. Lopez, Academic Press (2013) p.519-523 Contents<\/a><\/p>\n\n\n\n

\u200b2012<\/strong><\/p>\n\n\n\n

Molecular features underlying broadly tuned olfactory receptors chemoreception. Human OR1G1 as a test case.
L. Charlier, J. Topin, C. Ronin, S.K. Kim, W.A. Goddard III, R. Efremov, J. Golebiowski, Cell. Mol. Life Sci.<\/strong> 2012, 69, 4205-4213 DOI<\/a><\/p>\n\n\n\n

Kinetics and thermodynamics of gas diffusion in a NiFe hydrogenase.
J. Topin, M. Rousset, S. Antonczak, J. Golebiowski, Proteins <\/strong>2012, 80, 677-682 DOI<\/a>.<\/p>\n\n\n\n

Interaction between odorants and proteins involved in the perception of smell. The case of Odorant-Binding Proteins probed by molecular modeling and biophysical data.
J. Golebiowski, J. Topin, L. Charlier, L. Briand, Flavour Frag. J.<\/strong> 2012, 27, 445-453 DOI<\/a><\/p>\n\n\n\n

Chap.15 : ATTRACT and PTools: Open sources programs for protein-protein docking.
S. Schneider, A. Saladin, S. Fiorucci, C. Pr\u00e9viost, M. Zacharias. in Computational Drug Discovery and Design<\/strong> R. Baron, Springer (2012) p.221-232 Contents<\/a> \/ DOI<\/a><\/p>\n\n\n\n

\u200b2011<\/strong><\/p>\n\n\n\n

\u200bMolecular features underlying the perception of astringency as probed by molecular modeling.
J. Golebiowski, S. Fiorucci, M. Adrian-Scotto, J. Fernandez-Carmona, S. Antonczak, Mol. inf.<\/strong> 2011, 30, 410-414. DOI<\/a><\/p>\n\n\n\n

2010<\/strong><\/p>\n\n\n\n

Exploiting antigenic diversity for vaccines design: the Chlamydia ArtJ paradigm.
M. Soriani, P. Petit, R. Grifantini, R. Petracca, G. Gancitano, E. Frigimelica, F. Nardelli, C. Garcia, S. Spinelli, G. Scarabelli, S. Fiorucci, R. Affentranger, M. Ferrer-Navarro, M. Zacharias, G. Colombo, L. Vuillard, X. Daura and G. Grandi, J. Biol. Chem.<\/strong> 2010, 285, 30126-30138 DOI<\/a><\/p>\n\n\n\n

Binding site prediction and improved scoring during flexible protein-protein docking with ATTRACT.
S. Fiorucci, M. Zacharias, Proteins<\/strong> 2010, 78(15), 3131-3139 DOI<\/a><\/p>\n\n\n\n

Prediction of protein-protein interaction sites using electrostatic desolvation profile.
S. Fiorucci, M. Zacharias, Biophys. J.<\/strong> 2010, 98(9), 1921-1930 DOI<\/a><\/p>\n\n\n\n

Chap.11:  Prediction\/calculation of protein-protein binding affinities and mutation effect.
S. Fiorucci, S. Antonczak, J. Golebiowski. in Protein-protein complexes: Analysis, modeling and drug design<\/strong>, M. Zacharias, Wolrd Scientific (2010) p.295-317 Contents<\/a> \/ DOI<\/a><\/p>\n\n\n\n

\u200b2009<\/strong><\/p>\n\n\n\n

PTools: an opensource molecular docking library.
A. Saladin, S. Fiorucci, P. Poulain, C. Prevost, M. Zacharias. BMC Struct. Biol.<\/strong> 2009, 9, 27 DOI<\/a><\/p>\n\n\n\n

Theoretical Investigations of the Role Played by Quercetinase Enzymes upon Flavonoids Oxygenolysis Mechanism.
S. Antonczak, S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, Phys. Chem. Chem. Phys<\/strong>. 2009, 11, 1491-1501. DOI<\/a><\/p>\n\n\n\n

2008<\/strong><\/p>\n\n\n\n

Enzymatic Mechanisms involving Flavono\u00efds: a Theoretical Point of View.
S. Antonczak, S. Fiorucci, J. Golebiowski, D. Cabrol-Bass. Proceedings of the XXIV International Congress on Polyphenol<\/strong> Salamanques (Espagne), 8-11 Juillet 2008.<\/p>\n\n\n\n

\u200bMolecular simulations enlighten the binding mode of quercetin to lipoxygenase-3.
S. Fiorucci, J. Golebiowski, S. Antonczak, D. Cabrol-Bass. Proteins<\/strong> 2008, 73, 290-298. DOI<\/a><\/p>\n\n\n\n

\u200b2007<\/strong><\/p>\n\n\n\n

Binding free energy predictions in strongly hydrophobic biomolecular systems.
L. Charlier, C. Nespoulous, S. Fiorucci, S. Antonczak, J. Golebiowski. Phys. Chem. Chem. Phys<\/strong>. 2007, 9, 5761-5771. DOI<\/a><\/p>\n\n\n\n

Mechanistic events underlying Odorant Binding Protein chemoreception.
J. Golebiowski, S. Antonczak, S. Fiorucci, D. Cabrol-Bass. Proteins<\/strong> 2007, 67, 448-458. DOI<\/a><\/p>\n\n\n\n

DFT Study of quercetin activated forms involved in antioxidant and prooxidant biological processes.
S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, S. Antonczak. J. Agr. Food Chem.<\/strong> 2007, 55(3), 903-911. DOI<\/a><\/p>\n\n\n\n

\u200bMolecular Simulations bring new insights into Flavonoid\/Quercetinase Interaction Modes.
S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, S. Antonczak. Proteins<\/strong> 2007, 67(4), 961-970. DOI<\/a><\/p>\n\n\n\n

\u200b2006<\/strong><\/p>\n\n\n\n

\u200bMolecular simulation reveal a new entry site in Quercetin 2,3-Dioxygenase. A pathway for Dioxygen?
S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, S. Antonczak. Proteins<\/strong> 2006, 64, 845-850. DOI<\/a><\/p>\n\n\n\n

2004<\/strong><\/p>\n\n\n\n

Oxygenolysis of flavonoid compounds. DFT description of the mechanism for the quercetin case.
S. Fiorucci, J. Golebiowski, D. Cabrol-Bass, S. Antonczak. Chemphyschem<\/strong> 2004, 5, 1726-1733. DOI<\/a><\/p>\n\n\n\n

<\/p>\n","protected":false},"excerpt":{"rendered":"

2026 From Traditional QSAR to AI-Driven Models in Chemical Sciences.A. Mikolajczyk, B. Rasulev, S. Antoniotti, K. Pola\u0144ski, J.B. Coffin, S. Fiorucci, A. Racz, Anita, P. Skurski, Piotr, U. Zhdan, M. Gromelski, T. Puzyn, J. Leszczynski, M. Cronin, J. Polanski. submitted. Enhancing Mass Spectrum Comparison for Volatile Compounds.J.B. Coffin, R. Krafft, S. Antoniotti, S. Fiorucci. submitted. … Read more<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-34","page","type-page","status-publish"],"_links":{"self":[{"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/pages\/34","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/comments?post=34"}],"version-history":[{"count":93,"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/pages\/34\/revisions"}],"predecessor-version":[{"id":949,"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/pages\/34\/revisions\/949"}],"wp:attachment":[{"href":"https:\/\/lab.chemsensim.fr\/index.php\/wp-json\/wp\/v2\/media?parent=34"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}